Information card for entry 2224621

Structure parameters

• Chemical name: 2,3-Bis(bromomethyl)-1,4-diphenylbenzene
• Formula: C20 H16 Br2
• Calculated formula: C20 H16 Br2
• SMILES: c1(c(c(c(cc1)c1ccccc1)CBr)CBr)c1ccccc1
• Title of publication: 2,3-Bis(bromomethyl)-1,4-diphenylbenzene
• Authors of publication: Briggs, Jonathan B.; Jazdzyk, Mikaël D.; Miller, Glen P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o12
• a: 8.8589 ± 0.001 Å
• b: 11.5859 ± 0.0013 Å
• c: 16.655 ± 0.002 Å
• α: 90°
• β: 102.393 ± 0.004°
• γ: 90°
• Cell volume: 1669.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes